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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3054 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2009-08-12 16:46:29 +00:00
parent 323fb937c3
commit bd0d78aeac
7 changed files with 104 additions and 78 deletions
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24
src/force.cpp
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@ -156,30 +156,44 @@ Pair *Force::new_pair(const char *style)
return ptr to current pair class or hybrid sub-class
if exact, then style name must be exact match to word
if not exact, style name must contain word
else return NULL
return NULL if no match
return NULL if not exact and multiple hybrid sub-styles match
------------------------------------------------------------------------- */
Pair *Force::pair_match(const char *word, int exact)
{
int iwhich,count;
if (exact && strcmp(pair_style,word) == 0) return pair;
else if (!exact && strstr(pair_style,word)) return pair;
else if (strcmp(pair_style,"hybrid") == 0) {
PairHybrid *hybrid = (PairHybrid *) pair;
count = 0;
for (int i = 0; i < hybrid->nstyles; i++) {
if (exact && strcmp(hybrid->keywords[i],word) == 0)
return hybrid->styles[i];
else if (!exact && strstr(hybrid->keywords[i],word))
return hybrid->styles[i];
if (!exact && strstr(hybrid->keywords[i],word)) {
iwhich = i;
count++;
}
}
if (!exact && count == 1) return hybrid->styles[iwhich];
} else if (strcmp(pair_style,"hybrid/overlay") == 0) {
PairHybridOverlay *hybrid = (PairHybridOverlay *) pair;
count = 0;
for (int i = 0; i < hybrid->nstyles; i++) {
if (exact && strcmp(hybrid->keywords[i],word) == 0)
return hybrid->styles[i];
else if (!exact && strstr(hybrid->keywords[i],word))
return hybrid->styles[i];
else if (!exact && strstr(hybrid->keywords[i],word)) {
iwhich = i;
count++;
}
}
if (!exact && count == 1) return hybrid->styles[iwhich];
}
return NULL;
}